ChemDB: Chemical Search
Download
Chemical ID: 5801334
Chemical ID:
5801334
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-14-7-5-13(6-8-14)20-19-21-18(22)17(26-19)11-12-4-9-15(24-2)16(10-12)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,17,5,7,4,8,18,21,15,16,6,3,19,20,14,12,10,9,11,13,2,24,22,26/E:(5,6)(7,8)/rA:26nCOCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72973 |
Area: | 577.309 |
Solvation: | -6.70299 |
Coulombic: | -49.0251 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.57 |
LogP (Chemaxon): | 3.59 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|